Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
GPCR_HUMAN_201601 (GPCR_HUMAN - Jan 2016)
Download :
Data.csv
|
3D Models
Tab legend :
Full name of ligand selected in the comparative docking column:
General color information :
Quality: [
Good
|
Correct
| Uncertain ]
Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
|
‹μMol
|
‹mMol
]
Query Sequence
Filter:
Significants
SA found
Seq Ident.
3D Core
(QMean Score)
Classification code
Uniprot
Pfam
Prosite
Smart
Cath
ECNumber
Binding Site
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
Y01 - [nb=81] --> CHOLESTEROL HEMISUCCINATE
GLU - [nb=49] --> GLUTAMIC ACID
CHAIN - [nb=31] --> Distinctin chain B
2CV - [nb=30] --> HEGA-10
SOG - [nb=24] --> .....AHYDRO-PYRAN-3,4,5-TRIOL)
Z99 - [nb=22] --> .....H-XANTHEN-9-YL)-D-ALANINE
52Q - [nb=22] --> .....ane-2,6-dicarboxylic acid
D10 - [nb=17] --> DECANE
OLC - [nb=16] --> .....PYL (9Z)-OCTADEC-9-ENOATE
C5A - [nb=15] --> .....ANE-1,3-DICARBOXYLIC ACID
C5B - [nb=15] --> .....ANE-1,3-DICARBOXYLIC ACID
52A - [nb=15] --> .....INE-2,4-DICARBOXYLIC ACID
40H - [nb=13] --> .....ne]-4,6-dicarboxylic acid
2CG - [nb=13] --> .....ANE-1,2-DICARBOXYLIC ACID
NAG - [nb=12] --> ..... (N-ACETYL-D-GLUCOSAMINE)
GGL - [nb=12] --> GAMMA-L-GLUTAMIC ACID
CLR - [nb=12] --> CHOLESTEROL
STE - [nb=10] --> STEARIC ACID
OLA - [nb=7] --> OLEIC ACID
0HK - [nb=6] --> .....cyclo[3.3.1.0~2,4~]nonane
OLB - [nb=6] --> .....PYL (9Z)-OCTADEC-9-ENOATE
HTO - [nb=6] --> HEPTANE-1,2,3-TRIOL
40F - [nb=5] --> .....ane-2,6-dicarboxylic acid
ML5 - [nb=5] --> .....-OXOBUTYL}PHOSPHONIC ACID
0NN - [nb=4] --> .....-YL)PROPYL]-D-PROLINAMIDE
MRV - [nb=4] --> .....YL]CYCLOHEXANECARBOXAMIDE
RAA - [nb=4] --> SUGAR (ALPHA-RHAMNOSE)
3C0 - [nb=4] --> N-methyl scopolamine
PGW - [nb=3] --> .....HYL (9Z)-OCTADEC-9-ENOATE
MES - [nb=3] --> .....LINO)-ETHANESULFONIC ACID
QNB - [nb=3] --> ..... HYDROXY(DIPHENYL)ACETATE
ITD - [nb=2] --> .....LOHEXYLIMIDOTHIOCARBAMATE
2ID - [nb=2] --> .....thyl dihydrogen phosphate
BNG - [nb=2] --> SUGAR (B-NONYLGLUCOSIDE)
RAM - [nb=2] --> SUGAR (ALPHA-L-RHAMNOSE)
4VO - [nb=2] --> .....naphtho[2,1-g]indol-10-ol
3N6 - [nb=2] --> .....]CARBONYL}-D-TYROSINAMIDE
MCG - [nb=2] --> .....YL-4-CARBOXYPHENYLGLYCINE
1Q5 - [nb=2] --> .....YLPHENOXY)PYRIDIN-4-AMINE
2BQ - [nb=1] --> 2-HYDROXYSACLOFEN
2BX - [nb=1] --> .....ORPHOLIN-2-YL]ACETIC ACID
1PE - [nb=1] --> PENTAETHYLENE GLYCOL
2BY - [nb=1] --> PHACLOFEN
2C0 - [nb=1] --> BACLOFEN
2BV - [nb=1] --> .....OXYPROPYL]PHOSPHINIC ACID
4E6 - [nb=1] --> .....6E)-HEXADECA-1,4,6-TRIENE
ABU - [nb=1] --> GAMMA-AMINO-BUTANOIC ACID
N7R - [nb=1] --> .....)PIPERIDINE-1-CARBOXAMIDE
PLM - [nb=1] --> PALMITIC ACID
1KS - [nb=1] --> .....TRIFLUOROMETHYL)BENZAMIDE
381 - [nb=1] --> .....XYLMETHYL)PHOSPHINIC ACID
EJ4 - [nb=1] --> .....B]CARBAZOLE-1,8A(9H)-DIOL
5EH - [nb=1] --> .....,N-DIMETHYLPROPAN-1-AMINE
2BW - [nb=1] --> .....OXYMETHYL)PHOSPHINIC ACID
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
350
GNRR2_HUMAN
8
37%
0.217
PF00001
46 -
(0)
?
- / - / -
0
351
OR2G6_HUMAN
3
38%
0.210
PF10413
46 -
(0)
?
- / - / -
0
352
V1AR_HUMAN
19
35%
0.241
PF00001
45 -
(0)
?
- / - / -
0
353
OR9G9_HUMAN
9
34%
0.329
PF00001
45 -
(0)
?
- / - / -
0
354
O2T34_HUMAN
4
43%
0.365
PF10413
45 -
(0)
?
- / - / -
0
355
O10J1_HUMAN
10
50%
0.250
PF00001
45 -
(0)
?
- / - / -
0
356
OR8U1_HUMAN
10
39%
0.355
PF00001
45 -
(0)
?
- / - / -
0
357
O11H1_HUMAN
6
41%
0.298
PF00001
45 -
(0)
?
- / - / -
0
358
OR8B8_HUMAN
13
40%
0.271
PF00001
45 -
(0)
?
- / - / -
0
359
O52L1_HUMAN
11
29%
0.299
PF00001
45 -
(0)
?
- / - / -
0
360
O11H7_HUMAN
11
50%
0.186
PF00001
45 -
(0)
?
- / - / -
0
361
O2AE1_HUMAN
10
57%
0.304
PF00001
45 -
(0)
?
- / - / -
0
362
O52E4_HUMAN
7
33%
0.271
PF00001
45 -
(0)
?
- / - / -
0
363
OR2M3_HUMAN
3
50%
0.334
PF10413
45 -
(0)
?
- / - / -
0
364
OR8U8_HUMAN
11
36%
0.311
PF00001
45 -
(0)
?
- / - / -
0
365
OR2A2_HUMAN
6
39%
0.255
PF00001
45 -
(0)
?
- / - / -
0
366
QRFPR_HUMAN
20
31%
0.253
PF00001
45 -
(0)
?
- / - / -
0
367
O10AD_HUMAN
8
41%
0.195
PF00001
45 -
(0)
?
- / - / -
0
368
O52E1_HUMAN
12
34%
0.274
PF00001
45 -
(0)
?
- / - / -
0
369
GRM8_HUMAN
32
71%
0.523
PF07562
C2_S1
45 -
(0)
20
- /
4
/
21
10
370
O56B4_HUMAN
11
39%
0.172
PF00001
44 -
(0)
?
- / - / -
0
371
OR6K3_HUMAN
11
60%
0.324
PF00001
44 -
(0)
?
- / - / -
0
372
OR1FC_HUMAN
7
27%
0.156
PF00001
44 -
(0)
?
- / - / -
0
373
CCRL2_HUMAN
19
38%
0.326
PF00001
44 -
(0)
?
- / - / -
0
374
LPAR3_HUMAN
20
54%
0.311
PF00001
44 -
(0)
?
- / - / -
0
375
O10A2_HUMAN
6
32%
0.319
PF00001
44 -
(0)
?
- / - / -
0
376
OR2T3_HUMAN
4
45%
0.357
PF00001
44 -
(0)
?
- / - / -
0
377
GRM7_HUMAN
25
99%
0.569
PF07562
C1_S1
44 -
(0)
19
- /
3
/
19
10
378
OR8H2_HUMAN
7
33%
0.364
PF00001
44 -
(0)
?
- / - / -
0
379
OR4KF_HUMAN
8
40%
0.306
PF00001
44 -
(0)
?
- / - / -
0
380
O51E1_HUMAN
12
31%
0.239
PF00001
44 -
(0)
?
- / - / -
0
381
O6C68_HUMAN
3
34%
0.237
PF10413
44 -
(0)
?
- / - / -
0
382
GPR82_HUMAN
16
38%
0.238
PF00001
44 -
(0)
?
- / - / -
0
383
O51F2_HUMAN
6
26%
0.199
PF00001
44 -
(0)
?
- / - / -
0
384
GRM4_HUMAN
28
68%
0.539
PF07562
C1_S1
44 -
(0)
19
- /
4
/
18
10
385
O14AG_HUMAN
4
33%
0.302
PF10413
44 -
(0)
?
- / - / -
0
386
O52B4_HUMAN
10
32%
0.202
PF00001
44 -
(0)
?
- / - / -
0
387
OR5F1_HUMAN
11
40%
0.355
PF00001
44 -
(0)
?
- / - / -
0
388
O13C5_HUMAN
2
45%
0.187
PF10413
44 -
(0)
?
- / - / -
0
389
OR6Q1_HUMAN
9
59%
0.289
PF00001
44 -
(0)
?
- / - / -
0
390
O56B1_HUMAN
12
37%
0.304
PF00001
44 -
(0)
?
- / - / -
0
391
OR7AA_HUMAN
11
42%
0.276
PF00001
43 -
(0)
?
- / - / -
0
392
O2A25_HUMAN
8
39%
0.334
PF00001
43 -
(0)
?
- / - / -
0
393
ACM1_HUMAN
20
63%
0.264
PF00001
C3_S1
43 -
(0)
6
- /
7
/ -
3
394
OR6J1_HUMAN
12
31%
0.264
PF00001
43 -
(0)
?
- / - / -
0
395
O13A1_HUMAN
11
38%
0.289
PF00001
43 -
(0)
?
- / - / -
0
396
O13G1_HUMAN
10
35%
0.245
PF10413
43 -
(0)
?
- / - / -
0
397
GPR12_HUMAN
20
43%
0.234
PF00001
43 -
(0)
?
- / - / -
0
398
SSR3_HUMAN
20
43%
0.398
PF00001
43 -
(0)
?
- / - / -
0
399
OR7A5_HUMAN
10
31%
0.298
PF00001
43 -
(0)
?
- / - / -
0
400
TSHR_HUMAN
7
25%
0.239
PF10413
43 -
(0)
?
- / - / -
0
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